N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methyl-benzamide

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methyl-benzamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methyl-benzamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-methylbenzamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-methylbenzamide Traditional Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methyl-benzamide Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCCC3

InChI

InChI=1S/C21H26N2O2/c1-16-5-7-18(8-6-16)21(24)22-15-20(23-13-3-4-14-23)17-9-11-19(25-2)12-10-17/h5-12,20H,3-4,13-15H2,1-2H3,(H,22,24)/p+1/t20-/m1/s1